Published January 1, 2004 | Version v1
Journal article

Event-driven molecular dynamics in parallel

Description

Although event-driven algorithms have been shown to be far more efficient than time-driven methods such as conventional molecular dynamics, they have not become as popular. The main obstacle seems to be the difficulty of parallelizing event-driven molecular dynamics. Several basic ideas have been discussed in recent years, but to our knowledge no complete implementation has been published yet. In this paper we present a parallel event-driven algorithm including dynamic load-balancing, which can be easily implemented on any computer architecture. To simplify matters our explanations refer to a basic multi-particle system of hard spheres, but can be extended easily to a wide variety of possible models

Additional details

Identifiers

DOI
10.1016/j.jcp.2003.08.009;
arXiv
arXiv:physics/0302002v2;
PII
S0021999103004339;

Publishing Information

Journal Title
Journal of Computational Physics
Journal Volume
193
Journal Issue
1
Journal Page Range
p. 306-316
ISSN
0021-9991
CODEN
JCTPAH

INIS

Country of Publication
United States
Country of Input or Organization
International Atomic Energy Agency (IAEA)
INIS RN
35048350
Subject category
S71: CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS;
Descriptors DEI
ALGORITHMS; COMPUTER CALCULATIONS; COMPUTERIZED SIMULATION; MOLECULAR DYNAMICS METHOD; NUMERICAL ANALYSIS; NUMERICAL SOLUTION; PARTICLES
Descriptors DEC
CALCULATION METHODS; MATHEMATICAL LOGIC; MATHEMATICAL SOLUTIONS; MATHEMATICS; SIMULATION

Optional Information

Copyright
Copyright (c) 2003 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.